2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C14H17FN4O — CID 65447710

IUPAC2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CN(Cc2nnc(-c3ccc(F)cc3)o2)CCN1
InChIInChI=1S/C14H17FN4O/c1-10-8-19(7-6-16-10)9-13-17-18-14(20-13)11-2-4-12(15)5-3-11/h2-5,10,16H,6-9H2,1H3
InChIKeyVPCKDUFJVXUUCC-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.67
Rot. Bonds3

About 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 65447710) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID65447710
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCC1CN(Cc2nnc(-c3ccc(F)cc3)o2)CCN1
InChIInChI=1S/C14H17FN4O/c1-10-8-19(7-6-16-10)9-13-17-18-14(20-13)11-2-4-12(15)5-3-11/h2-5,10,16H,6-9H2,1H3
InChIKeyVPCKDUFJVXUUCC-UHFFFAOYSA-N
XLogP1.67
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromofuran-2-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 104975633
2-(2-bromophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449579
2-ethyl-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449208
2-(2,5-dimethylfuran-3-yl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449038
2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 104975236
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594
(2S)-1-[(2R)-4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124853039
2-(4-fluorophenyl)-5-[[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 56802281
2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 62672288
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methylpiperidin-4-ol
CID 80701819
4-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898076
2-(4-methylphenyl)-5-[(3-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 110651713

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 65447710) is 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CC1CN(Cc2nnc(-c3ccc(F)cc3)o2)CCN1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is VPCKDUFJVXUUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10-8-19(7-6-16-10)9-13-17-18-14(20-13)11-2-4-12(15)5-3-11/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 276.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 65447710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).